SCHEMBL3269754

SCHEMBL3269754

COC(=O)NC(C(=O)C(C)C)C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
TSHR P16473 1/20 0.36
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP14 P50281 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP3 P08254 1/20 0.33
ACACB O00763 2/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.31
EPHX1 P07099 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12295863 1.00 MMP2 (0.38) MMP2CA12CA1CA2CA9
SCHEMBL12402476 0.96 MMP2 (0.41) MMP2CA12CA1CA2CA9
SCHEMBL12018425 0.95 MMP2 (0.44) MMP2CA12CA1CA2CA9
SCHEMBL8045840 0.95 MMP2 (0.44) MMP2CA12CA1CA2CA9
SCHEMBL8912843 0.93 SMN1; SMN2 (0.33) MMP2CA12CA1CA2CA9
SCHEMBL8911457 0.93 SMN1; SMN2 (0.33) MMP2CA12CA1CA2CA9
SCHEMBL3265363 0.93 SMN1; SMN2 (0.33) MMP2CA12CA1CA2CA9
SCHEMBL18931371 0.86 MMP2 (0.32) MMP2CA12CA1CA2CA9
SCHEMBL888728 0.85 MAPK1 (0.38) MMP2MMP1MMP9MMP14AAK1
SCHEMBL15429762 0.85 SMN1; SMN2 (0.30) SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS MMP2 2627/4885CA12 4401/4885CA1 4852/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.